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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224114

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1224114
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Sn', 'P']
  • Chemical System: Ba-K-P-Sn
  • Density: 3.018004772345854
  • Atomic Density: 0.02967752957853896
  • Unit Cell Volume: 741.3015945878832
  • Molar Volume: 20.29192067373039
  • Full Formula: K8 Ba4 Sn2 P8
  • Reduced Formula: K4Ba2SnP4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -81.08817124
  • Final energy per atom: -3.685825965454545
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.